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methyl 2-(benzotriazol-1-yl)pentanoate
SpectraBase Compound ID KlRoxklqCW7
InChI InChI=1S/C12H15N3O2/c1-3-6-11(12(16)17-2)15-10-8-5-4-7-9(10)13-14-15/h4-5,7-8,11H,3,6H2,1-2H3
InChIKey RRZMFMOBPYDYAJ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z2NKspxc2S
Name methyl 2-(benzotriazol-1-yl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-3-6-11(12(16)17-2)15-10-8-5-4-7-9(10)13-14-15/h4-5,7-8,11H,3,6H2,1-2H3
InChIKey RRZMFMOBPYDYAJ-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807039
Molecular Weight 233.271 g/mol
Quality 836
SMILES C1=2N(N=NC2C=CC=C1)C(C(OC)=O)CCC
SPLASH splash10-0v6u-5910000000-de7977b333388ebfea95
Source of Spectrum ACI-57-SM160-160-2 (DOI: 10.1002/anie.201807039)
Wiley ID 1896801